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Journal of Computational Chemistry|October 12, 2018
Fermi-Löwdin orbital self-interaction corrected density functional theory: Ionization potentials and enthalpies of formationSebastian Schwalbe, Torsten Hahn, Simon Liebing, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|February 28, 2009
How to build molecules with large magnetic anisotropyJordi Cirera, Eliseo Ruiz, Santiago Alvarez, et al.Physical Review Letters|October 4, 2012
Hybrid states and charge transfer at a phthalocyanine heterojunction: MnPc(δ+)/F16CoPc(δ-)Susi Lindner, Martin Knupfer, Rico Friedrich, et al.Physical Review Letters|February 9, 2005
Band filling and interband scattering effects in MgB2: carbon versus aluminum dopingJens Kortus, Oleg V Dolgov, Reinhard K Kremer, et al.Dalton Transactions (Cambridge, England : 2003)|December 17, 2008
Synthesis, structure, magnetic and catalytic properties of new dinuclear chromium(III) complexes with oxazoline alcoholate ligandsSuyun Jie, Roberto Pattacini, Guillaume Rogez, et al.Chemical Communications (Cambridge, England)|April 11, 2008
Can large magnetic anisotropy and high spin really coexist?Eliseo Ruiz, Jordi Cirera, Joan Cano, et al.Journal of Physics. Condensed Matter : an Institute of Physics Journal|December 22, 2020
Electronic structure and transport properties of coupled CdS/ZnSe quantum dotsSimon Liebing, Torsten Hahn, Jens Kortus, et al.Dalton Transactions (Cambridge, England : 2003)|October 31, 2012
Binuclear nickel complexes with an edge sharing bis(square-pyramidal) N3Ni(μ-S2)NiN3 core: synthesis, characterization, crystal structure and magnetic propertiesUlrike Lehmann, Jochen Lach, Claudia Loose, et al.The Journal of Chemical Physics|September 3, 2020
PyFLOSIC: Python-based Fermi-Löwdin orbital self-interaction correctionSebastian Schwalbe, Lenz Fiedler, Jakob Kraus, et al.The Journal of Chemical Physics|April 24, 2023
Bond formation insights into the Diels-Alder reaction: A bond perception and self-interaction perspectiveWanja Timm Schulze, Sebastian Schwalbe, Kai Trepte, et al.Pageof 5